(Z)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-2-pyridin-2-yl-prop-2-enenitrile

Systemtic Name: (Z)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-2-pyridin-2-yl-prop-2-enenitrile Openeye Name: (Z)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-2-(2-pyridyl)prop-2-enenitrile CAS Name: (Z)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-(2-pyridinyl)-2-propenenitrile IUPAC Name: (Z)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-2-pyridin-2-ylprop-2-enenitrile Traditional Name: (Z)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]-2-(2-pyridyl)acrylonitrile Formula: C18H11N5O2S MolecularWeight: 361.37724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=NC(=C1)/C(=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H11N5O2S/c19-12-14(15-4-1-2-7-20-15)10-13-5-6-17(16(11-13)23(24)25)26-18-21-8-3-9-22-18/h1-11H/b14-10+